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| CAS No.: | 22753-88-4 |
|---|---|
| Name: | 2-(2-BENZAMIDO-5-BROMOBENZOYL)PYRIDINE |
| Molecular Structure: | |
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| Formula: | C19H13BrN2O2 |
| Molecular Weight: | 381.228 |
| Synonyms: | Benzanilide,4'-bromo-2'-picolinoyl- (7CI,8CI); |
| EINECS: | 245-201-6 |
| Density: | 1.49 g/cm3 |
| Melting Point: | 138-140 °C (decomp)(Solv: ethanol (64-17-5)) |
| Boiling Point: | 479.5 °C at 760 mmHg |
| Flash Point: | 243.8 °C |
| PSA: | 59.06000 |
| LogP: | 4.40040 |
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- Total:25 Page 1 of 1 1
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Specification
The Benzamide,N-[4-bromo-2-(2-pyridinylcarbonyl)phenyl]- is an organic compound with the formula C19H13BrN2O2. The IUPAC name of this chemical is N-[5-bromo-2-(pyridine-2-carbonyl)phenyl]benzamide. With the CAS registry number 22753-88-4, it is also named as N-[4-Bromo-2-(pyridin-2-ylcarbonyl)phenyl]benzamide.
Physical properties about Benzamide,N-[4-bromo-2-(2-pyridinylcarbonyl)phenyl]- are: (1)ACD/LogP: 4.77; (2)ACD/LogD (pH 5.5): 4.77; (3)ACD/LogD (pH 7.4): 4.77; (4)ACD/BCF (pH 5.5): 2472.26; (5)ACD/BCF (pH 7.4): 2472.2; (6)ACD/KOC (pH 5.5): 9340.53; (7)ACD/KOC (pH 7.4): 9340.32; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 59.06 Å2; (12)Index of Refraction: 1.677; (13)Molar Refractivity: 96.4 cm3; (14)Molar Volume: 255.8 cm3; (15)Polarizability: 38.21×10-24cm3; (16)Surface Tension: 59.7 dyne/cm; (17)Density: 1.49 g/cm3; (18)Flash Point: 243.8 °C; (19)Enthalpy of Vaporization: 74.38 kJ/mol; (20)Boiling Point: 479.5 °C at 760 mmHg; (21)Vapour Pressure: 2.35E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2cc(Br)ccc2NC(=O)c1ccccc1)c3ccccn3
(2)InChI: InChI=1/C19H13BrN2O2/c20-14-9-10-16(22-19(24)13-6-2-1-3-7-13)15(12-14)18(23)17-8-4-5-11-21-17/h1-12H,(H,22,24)
(3)InChIKey: JBFBLJZYATVKLI-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C19H13BrN2O2/c20-14-9-10-16(22-19(24)13-6-2-1-3-7-13)15(12-14)18(23)17-8-4-5-11-21-17/h1-12H,(H,22,24)
(5)Std. InChIKey: JBFBLJZYATVKLI-UHFFFAOYSA-N